Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
-6.5432 1.0168 3.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5370 -0.0056 2.0294 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7013 0.7157 0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6673 -0.0743 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4513 -0.6202 -1.0571 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4301 -1.4419 -0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4824 -0.9065 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6433 0.2437 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8217 -0.1214 -1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8257 -1.2213 -0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0157 -1.5290 -2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7512 -0.3387 -2.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7368 0.1463 -1.5741 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4302 1.3208 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3920 2.0935 -1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6167 1.5196 -0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5313 0.4480 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9406 0.1080 0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8932 0.7181 0.0995 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2125 -0.8810 1.6017 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5738 -1.2028 1.9903 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2171 0.0058 2.5433 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6760 0.0192 3.7883 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4697 1.6337 2.9904 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5853 0.5269 4.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6763 1.6994 3.0633 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7900 -0.7260 2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5321 -0.5779 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9646 1.5768 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7092 1.2434 0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3908 -0.9715 -0.3562 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2236 0.5745 -1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8198 -1.2373 -1.9975 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9568 0.2808 -1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8652 -2.0712 -1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9800 -2.2954 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6978 -1.7321 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8168 -0.6375 1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2220 1.1620 -0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9141 0.4777 0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4704 -0.4511 -2.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3233 0.8133 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4110 -2.1699 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2019 -1.0679 -0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7250 -1.8166 -2.9713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6738 -2.3443 -1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1215 0.5050 -2.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3897 -0.6526 -3.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 0.3585 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4859 -0.6958 -1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9921 1.0076 -3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6781 2.0505 -2.5928 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8333 2.6781 -0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6856 2.9876 -2.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3279 1.1651 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2297 2.3783 -0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0974 -0.4973 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9500 0.7950 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3747 -1.3682 2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1003 -1.4901 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6373 -2.0748 2.6396 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3213 0.8943 1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1533 0.8963 4.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6039 -0.8401 4.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers